#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wis n SER 2 N 0.00 -8.61 -4.80 1.61 7.64 -1.26 -4.88 113.62 103.32 1wis n SER 2 Ca 0.00 1.11 -0.32 0.00 1.01 0.00 0.00 58.87 60.67 1wis n SER 2 Cb 0.00 -4.78 -0.06 0.00 -1.01 0.00 0.00 64.21 58.36 1wis n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wis s SER 3 N -7.24 5.76 0.00 6.43 0.15 -1.26 -5.05 113.70 112.49 1wis s SER 3 Ca 0.00 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1wis s SER 3 Cb 0.00 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1wis s SER 3 CO 0.00 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1wis n GLY 4 N 0.80 3.41 3.70 9.45 0.00 -1.26 -5.08 105.19 116.21 1wis n GLY 4 Ca -0.10 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1wis n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis s SER 5 N 0.00 6.73 0.07 1.61 0.01 -1.26 -4.87 113.70 115.99 1wis s SER 5 Ca 0.00 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1wis s SER 5 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wis s SER 5 CO 0.00 -0.77 0.00 -0.24 0.41 0.00 0.00 173.24 172.64 1wis n SER 6 N 4.84 0.63 -4.57 2.44 2.88 -1.26 -5.08 113.62 113.50 1wis n SER 6 Ca 0.14 0.10 -0.29 0.00 -1.33 0.00 0.00 58.87 57.49 1wis n SER 6 Cb 0.42 -0.18 0.22 0.00 -0.75 0.00 0.00 64.21 63.91 1wis n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wis s GLY 7 N -4.43 1.57 -0.00 0.46 0.00 -1.26 -5.06 107.32 98.59 1wis s GLY 7 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.59 1wis s GLY 7 CO 0.00 0.51 -0.02 -0.51 0.00 0.00 0.00 173.10 173.09 1wis s THR 8 N -2.66 0.13 0.30 0.90 -4.23 -1.26 -5.13 115.64 103.70 1wis s THR 8 Ca 0.67 -0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.81 1wis s THR 8 Cb -0.22 -0.12 -0.10 0.00 1.34 0.00 0.00 72.50 73.39 1wis s THR 8 CO 0.62 0.03 1.39 -0.51 -0.54 0.00 0.00 174.62 175.61 1wis s ILE 9 N -0.05 2.60 -0.32 2.99 1.10 -1.26 -3.92 121.20 122.35 1wis s ILE 9 Ca 0.01 0.56 -0.16 0.00 -0.51 0.00 0.00 60.65 60.54 1wis s ILE 9 Cb -0.01 -3.36 0.02 0.00 0.15 0.00 0.00 42.46 39.27 1wis s ILE 9 CO -0.00 0.11 0.36 -0.24 -2.11 0.00 0.00 174.94 173.07 1wis n SER 10 N 1.46 -6.95 0.14 4.50 2.88 -1.26 -4.91 113.62 109.47 1wis n SER 10 Ca 0.03 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1wis n SER 10 Cb 0.41 -3.46 0.00 0.00 -0.75 0.00 0.00 64.21 60.41 1wis n SER 10 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wis n SER 11 N 0.29 -2.48 0.00 -3.46 7.64 -1.25 -5.17 113.62 109.18 1wis n SER 11 Ca 0.01 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1wis n SER 11 Cb 0.44 2.48 0.00 0.00 -1.01 0.00 0.00 64.21 66.12 1wis n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wis n GLY 12 N -1.36 3.15 3.75 0.23 0.00 -1.26 -5.06 105.19 104.64 1wis n GLY 12 Ca 0.00 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1wis n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wis s VAL 13 N -1.71 3.70 0.44 1.61 1.01 -1.26 -4.92 120.40 119.27 1wis s VAL 13 Ca 0.00 1.69 -0.22 0.00 0.00 0.00 0.00 61.98 63.45 1wis s VAL 13 Cb 0.00 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1wis s VAL 13 CO 0.00 0.39 1.05 -2.16 0.00 0.00 0.00 175.10 174.38 1wis s PRO 14 N -1.27 3.99 0.74 2.72 0.04 -1.26 -5.04 135.00 134.93 1wis s PRO 14 Ca 0.44 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1wis s PRO 14 Cb -0.30 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 31.94 1wis s PRO 14 CO 0.38 -0.28 1.08 -1.25 0.04 0.00 0.00 177.00 176.97 1wis s PRO 15 N -2.83 2.55 0.46 0.56 0.04 -1.26 -5.08 135.00 129.44 1wis s PRO 15 Ca 0.62 0.81 0.05 0.00 0.04 0.00 0.00 61.00 62.52 1wis s PRO 15 Cb -0.20 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1wis s PRO 15 CO 0.24 -1.33 0.13 -1.21 0.04 0.00 0.00 177.00 174.87 1wis s GLU 16 N -5.10 2.17 0.54 4.56 2.02 -1.23 -4.86 118.70 116.80 1wis s GLU 16 Ca 0.59 -2.10 -0.16 0.00 0.02 0.00 0.00 54.97 53.33 1wis s GLU 16 Cb -0.14 -1.79 -0.06 0.00 0.10 0.00 0.00 34.13 32.23 1wis s GLU 16 CO 0.55 -0.26 1.01 -0.51 0.02 0.00 0.00 175.26 176.07 1wis s LEU 17 N -3.92 3.56 0.00 1.80 1.43 -1.26 -4.68 118.68 115.61 1wis s LEU 17 Ca 0.28 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1wis s LEU 17 Cb 0.03 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1wis s LEU 17 CO 0.15 -0.79 0.00 -0.81 0.23 0.00 0.00 176.35 175.14 1wis n PRO 18 N -1.78 0.79 -4.29 1.29 -0.04 -1.16 -4.48 135.00 125.33 1wis n PRO 18 Ca 0.07 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.38 1wis n PRO 18 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1wis n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wis s GLY 19 N -1.25 1.63 -0.26 0.55 0.00 -0.80 -4.92 107.32 102.28 1wis s GLY 19 Ca 0.00 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 42.62 1wis s GLY 19 CO 0.00 -1.55 1.33 2.56 0.00 0.00 0.00 173.10 175.44 1wis s PRO 20 N -4.05 3.98 0.29 2.90 0.04 -1.26 -4.65 135.00 132.25 1wis s PRO 20 Ca 0.37 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 1wis s PRO 20 Cb 0.08 -3.87 -0.09 0.00 0.04 0.00 0.00 34.50 30.65 1wis s PRO 20 CO 0.12 -1.04 1.08 -1.25 0.04 0.00 0.00 177.00 175.95 1wis s PRO 21 N 4.07 4.62 0.00 0.56 0.04 -1.26 -4.64 135.00 138.39 1wis s PRO 21 Ca 0.58 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1wis s PRO 21 Cb -0.19 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1wis s PRO 21 CO 0.22 0.21 0.00 0.25 0.04 0.00 0.00 177.00 177.72 1wis n THR 22 N 1.10 0.00 -1.98 1.26 -2.24 -1.23 -4.74 114.28 106.45 1wis n THR 22 Ca -0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 1wis n THR 22 Cb 0.45 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1wis n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wis n ASN 23 N -0.93 -4.89 -4.70 3.42 3.02 -1.26 -2.95 115.26 106.96 1wis n ASN 23 Ca 0.00 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 1wis n ASN 23 Cb 0.00 -3.94 -0.03 0.00 -0.61 0.00 0.00 39.78 35.21 1wis n ASN 23 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wis s LEU 24 N -4.30 4.35 -0.08 3.41 2.96 -1.26 -4.23 118.68 119.53 1wis s LEU 24 Ca 0.00 2.16 -0.21 0.00 -0.22 0.00 0.00 54.13 55.86 1wis s LEU 24 Cb 0.00 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.16 1wis s LEU 24 CO 0.00 -0.63 0.49 -0.83 -1.32 0.00 0.00 176.35 174.06 1wis s GLY 25 N 1.38 -0.36 -0.27 7.98 0.00 -1.05 -4.88 107.32 110.12 1wis s GLY 25 Ca 0.63 0.98 -0.11 0.00 0.00 0.00 0.00 44.72 46.21 1wis s GLY 25 CO 0.28 0.72 0.20 -0.42 0.00 0.00 0.00 173.10 173.88 1wis s ILE 26 N -0.83 5.31 0.31 0.90 -1.09 -1.26 -1.97 121.20 122.57 1wis s ILE 26 Ca -0.09 0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.58 1wis s ILE 26 Cb -0.03 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.25 1wis s ILE 26 CO 0.05 0.26 0.01 -0.44 -1.23 0.00 0.00 174.94 173.60 1wis s SER 27 N 1.61 2.53 -1.38 3.58 0.01 0.04 -4.81 113.70 115.27 1wis s SER 27 Ca 0.08 -1.30 -0.16 0.00 1.31 0.00 0.00 55.95 55.87 1wis s SER 27 Cb -0.15 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 65.98 1wis s SER 27 CO 0.10 -0.51 0.35 0.59 0.41 0.00 0.00 173.24 174.18 1wis n ASN 28 N -0.64 -1.55 -4.55 2.44 3.02 -1.26 -0.65 115.26 112.07 1wis n ASN 28 Ca -0.04 -1.26 -0.38 0.00 -0.03 0.00 0.00 54.58 52.87 1wis n ASN 28 Cb 0.65 -1.78 -0.03 0.00 -0.61 0.00 0.00 39.78 38.02 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wis s ILE 29 N -3.96 3.32 0.00 2.41 1.01 -1.26 -3.36 121.20 119.36 1wis s ILE 29 Ca 0.23 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1wis s ILE 29 Cb -0.13 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1wis s ILE 29 CO 0.98 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1wis n GLY 30 N 5.73 -0.34 0.09 6.18 0.00 0.44 -4.49 105.19 112.80 1wis n GLY 30 Ca 0.22 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 1wis n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis h PRO 31 N 0.00 0.14 0.00 1.61 0.13 -1.89 -2.26 132.00 129.73 1wis h PRO 31 Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1wis h PRO 31 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1wis h PRO 31 CO 0.00 0.86 -0.01 0.54 -0.23 0.00 0.00 178.00 179.16 1wis n ARG 32 N -4.57 1.63 -3.81 0.86 1.74 -1.26 -3.22 116.66 108.03 1wis n ARG 32 Ca -0.09 -1.07 -0.12 0.00 -0.77 0.00 0.00 57.85 55.79 1wis n ARG 32 Cb 0.46 -0.78 -0.10 0.00 -1.02 0.00 0.00 32.46 31.02 1wis n ARG 32 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wis s SER 33 N -0.59 -0.12 0.16 0.55 1.04 -1.26 -1.45 113.70 112.03 1wis s SER 33 Ca 0.00 0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.36 1wis s SER 33 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1wis s SER 33 CO 0.00 -0.36 0.33 0.68 0.98 0.00 0.00 173.24 174.87 1wis s VAL 34 N -1.13 0.07 -0.32 5.02 -7.23 -1.19 0.17 120.40 115.78 1wis s VAL 34 Ca -0.12 -1.17 -0.08 0.00 -1.81 0.00 0.00 61.98 58.80 1wis s VAL 34 Cb -0.06 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.23 1wis s VAL 34 CO 0.03 -0.30 0.12 -0.89 -0.31 0.00 0.00 175.10 173.74 1wis s THR 35 N -3.92 4.13 -0.18 5.32 2.01 0.18 -1.06 115.64 122.12 1wis s THR 35 Ca 0.13 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 1wis s THR 35 Cb 0.02 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1wis s THR 35 CO -0.03 -0.03 0.26 -0.22 -0.69 0.00 0.00 174.62 173.92 1wis s LEU 36 N 1.51 4.22 -0.00 4.42 0.20 -0.96 -0.78 118.68 127.28 1wis s LEU 36 Ca 0.02 0.42 0.03 0.00 0.69 0.00 0.00 54.13 55.29 1wis s LEU 36 Cb -0.18 -2.32 -0.03 0.00 -0.43 0.00 0.00 46.19 43.23 1wis s LEU 36 CO 0.04 0.09 -0.07 -1.10 -0.29 0.00 0.00 176.35 175.01 1wis s GLN 37 N 0.60 2.55 0.06 1.98 -0.21 -0.83 -3.02 119.66 120.79 1wis s GLN 37 Ca 0.14 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 1wis s GLN 37 Cb -0.13 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.39 1wis s GLN 37 CO 0.03 0.61 0.11 1.97 -2.12 0.00 0.00 175.29 175.89 1wis n PHE 38 N 1.63 -1.07 -3.65 0.91 -1.74 -1.16 -2.54 117.46 109.83 1wis n PHE 38 Ca -0.16 -0.29 -0.09 0.00 -0.56 0.00 0.00 57.45 56.35 1wis n PHE 38 Cb 0.53 0.13 -0.08 0.00 1.52 0.00 0.00 39.48 41.57 1wis n PHE 38 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1wis s ARG 39 N -2.04 0.66 -0.38 3.97 0.52 -1.15 -4.82 118.95 115.72 1wis s ARG 39 Ca 0.03 1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 56.01 1wis s ARG 39 Cb -0.01 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.64 1wis s ARG 39 CO 0.02 -0.14 1.40 -1.25 0.02 0.00 0.00 175.30 175.35 1wis s PRO 40 N 1.24 3.66 0.00 3.54 0.04 -1.26 -3.47 135.00 138.75 1wis s PRO 40 Ca -0.07 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1wis s PRO 40 Cb -0.05 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1wis s PRO 40 CO -0.13 -1.46 0.57 0.41 0.04 0.00 0.00 177.00 176.43 1wis n GLY 41 N 4.89 -1.64 2.70 0.56 0.00 -1.26 -4.65 105.19 105.78 1wis n GLY 41 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1wis n GLY 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wis s TYR 42 N -1.93 2.15 0.18 1.61 5.04 -1.26 -4.99 117.35 118.15 1wis s TYR 42 Ca 0.00 -2.59 -0.27 0.00 -2.44 0.00 0.00 57.07 51.77 1wis s TYR 42 Cb 0.00 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.42 1wis s TYR 42 CO 0.00 -0.75 1.54 -0.44 -1.34 0.00 0.00 175.55 174.57 1wis h ASP 43 N 6.33 -1.97 0.00 4.32 5.19 -1.84 -2.12 116.42 126.32 1wis h ASP 43 Ca 0.06 0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1wis h ASP 43 Cb 0.89 0.90 0.00 0.00 0.18 0.00 0.00 39.33 41.31 1wis h ASP 43 CO 0.51 -0.25 0.00 0.61 -3.12 0.00 0.00 179.24 176.99 1wis n GLY 44 N -1.31 0.55 3.32 2.75 0.00 -1.26 -3.00 105.19 106.24 1wis n GLY 44 Ca 0.04 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 1wis n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wis n LYS 45 N 0.00 -2.42 -3.64 1.61 5.02 -1.26 -3.55 118.16 113.93 1wis n LYS 45 Ca 0.00 0.21 -0.06 0.00 -2.02 0.00 0.00 58.31 56.44 1wis n LYS 45 Cb 0.00 -4.80 -0.07 0.00 -0.02 0.00 0.00 35.03 30.14 1wis n LYS 45 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wis s THR 46 N -2.66 0.00 0.80 -0.18 -1.32 -1.26 -4.86 115.64 106.16 1wis s THR 46 Ca 0.35 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.72 1wis s THR 46 Cb -0.20 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.86 1wis s THR 46 CO 0.43 0.00 1.09 -0.44 -2.21 0.00 0.00 174.62 173.49 1wis s SER 47 N -0.10 4.42 0.16 8.08 0.01 -1.26 -4.71 113.70 120.30 1wis s SER 47 Ca 0.05 1.45 -0.29 0.00 1.31 0.00 0.00 55.95 58.47 1wis s SER 47 Cb -0.04 -2.19 -0.07 0.00 0.21 0.00 0.00 66.02 63.93 1wis s SER 47 CO -0.10 -2.03 0.90 -0.63 0.41 0.00 0.00 173.24 171.79 1wis s ILE 48 N -3.06 4.36 -0.04 1.44 -1.09 -1.26 -4.72 121.20 116.82 1wis s ILE 48 Ca 0.61 1.97 0.12 0.00 -2.23 0.00 0.00 60.65 61.12 1wis s ILE 48 Cb -0.15 -4.27 -0.14 0.00 -1.58 0.00 0.00 42.46 36.32 1wis s ILE 48 CO 0.55 0.42 1.05 0.28 -1.23 0.00 0.00 174.94 176.01 1wis h SER 49 N 4.90 0.00 -2.92 3.58 0.02 0.17 -3.39 113.55 115.92 1wis h SER 49 Ca -0.44 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.60 1wis h SER 49 Cb 1.21 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.47 1wis h SER 49 CO 0.69 0.79 0.53 -0.60 -1.14 0.00 0.00 176.83 177.11 1wis s ARG 50 N -2.79 0.40 -0.09 3.45 3.00 -1.19 -2.40 118.95 119.34 1wis s ARG 50 Ca -0.01 0.50 -0.13 0.00 -1.00 0.00 0.00 55.73 55.09 1wis s ARG 50 Cb 0.09 0.18 -0.05 0.00 0.00 0.00 0.00 34.95 35.17 1wis s ARG 50 CO 0.80 -0.05 0.31 -1.58 0.00 0.00 0.00 175.30 174.79 1wis s TRP 51 N 0.32 3.58 -0.14 5.12 0.52 0.29 -2.49 118.94 126.15 1wis s TRP 51 Ca 0.02 0.74 -0.04 0.00 0.02 0.00 0.00 56.10 56.84 1wis s TRP 51 Cb -0.05 -2.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 1wis s TRP 51 CO -0.09 0.47 0.02 -1.17 0.02 0.00 0.00 176.95 176.20 1wis s LEU 52 N -0.35 3.60 -0.26 2.99 2.96 -0.48 -0.84 118.68 126.30 1wis s LEU 52 Ca 0.19 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1wis s LEU 52 Cb -0.14 -1.86 0.08 0.00 0.50 0.00 0.00 46.19 44.76 1wis s LEU 52 CO 0.08 0.26 0.02 -0.69 -1.32 0.00 0.00 176.35 174.69 1wis s VAL 53 N -0.18 1.31 0.42 1.68 1.01 0.19 -1.89 120.40 122.94 1wis s VAL 53 Ca 0.05 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 60.77 1wis s VAL 53 Cb -0.12 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1wis s VAL 53 CO 0.02 -0.35 0.57 -1.61 0.00 0.00 0.00 175.10 173.73 1wis s GLU 54 N 1.45 2.84 0.03 2.72 2.02 -1.26 -0.50 118.70 126.02 1wis s GLU 54 Ca 0.02 -1.21 -0.28 0.00 0.02 0.00 0.00 54.97 53.51 1wis s GLU 54 Cb -0.18 -2.76 0.09 0.00 0.10 0.00 0.00 34.13 31.38 1wis s GLU 54 CO -0.12 -0.26 0.90 0.00 0.02 0.00 0.00 175.26 175.80 1wis s ALA 55 N -2.35 -1.79 0.10 5.21 0.00 -0.95 -1.93 121.76 120.05 1wis s ALA 55 Ca 0.54 0.81 0.10 0.00 0.00 0.00 0.00 51.96 53.40 1wis s ALA 55 Cb -0.10 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1wis s ALA 55 CO 0.33 -0.77 -0.24 -0.65 0.00 0.00 0.00 175.76 174.42 1wis s GLN 56 N -3.16 1.38 -0.13 0.00 -0.21 -1.05 -3.72 119.66 112.77 1wis s GLN 56 Ca 0.07 -1.21 -0.21 0.00 0.02 0.00 0.00 55.36 54.02 1wis s GLN 56 Cb -0.01 -1.72 -0.03 0.00 1.00 0.00 0.00 33.01 32.25 1wis s GLN 56 CO -0.07 0.42 0.62 0.08 -2.12 0.00 0.00 175.29 174.23 1wis s VAL 57 N -1.02 5.06 0.00 1.09 1.01 -1.26 -3.30 120.40 121.99 1wis s VAL 57 Ca 0.11 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1wis s VAL 57 Cb -0.10 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1wis s VAL 57 CO 0.04 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1wis n GLY 58 N 3.43 0.54 3.53 4.51 0.00 -0.52 -4.25 105.19 112.43 1wis n GLY 58 Ca -0.02 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 1wis n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wis n VAL 59 N 0.00 -0.05 -3.90 1.61 0.31 -1.26 -4.74 118.33 110.30 1wis n VAL 59 Ca 0.00 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 63.59 1wis n VAL 59 Cb 0.00 -1.72 -0.16 0.00 -0.91 0.00 0.00 33.84 31.06 1wis n VAL 59 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wis s VAL 60 N 10.65 1.40 0.00 2.52 0.11 -1.26 -4.82 120.40 129.01 1wis s VAL 60 Ca 1.15 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1wis s VAL 60 Cb -0.66 -1.77 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 1wis s VAL 60 CO 0.36 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1wis n GLY 61 N 4.70 -0.26 2.01 6.54 0.00 -1.26 -5.09 105.19 111.83 1wis n GLY 61 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1wis n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wis n GLU 62 N 0.00 0.00 -0.30 1.61 1.02 -1.26 -4.90 120.64 116.82 1wis n GLU 62 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1wis n GLU 62 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.62 1wis n GLU 62 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1wis h GLY 63 N 0.00 0.95 -2.27 0.62 0.00 -1.98 -3.39 103.07 96.99 1wis h GLY 63 Ca 0.00 0.15 -0.49 0.00 0.00 0.00 0.00 47.33 46.99 1wis h GLY 63 CO 0.00 -0.37 0.42 -0.54 0.00 0.00 0.00 176.54 176.05 1wis s GLU 64 N -6.10 3.69 0.62 4.80 2.02 -1.26 -5.04 118.70 117.43 1wis s GLU 64 Ca -0.13 1.53 -0.03 0.00 0.02 0.00 0.00 54.97 56.35 1wis s GLU 64 Cb 0.25 -2.17 0.04 0.00 0.10 0.00 0.00 34.13 32.35 1wis s GLU 64 CO 0.76 -0.55 0.90 -1.83 0.02 0.00 0.00 175.26 174.56 1wis s GLU 65 N -3.07 2.48 -0.22 1.61 -1.05 -1.26 -4.83 118.70 112.36 1wis s GLU 65 Ca 0.67 -0.40 -0.01 0.00 -0.15 0.00 0.00 54.97 55.08 1wis s GLU 65 Cb -0.22 -2.31 0.02 0.00 -0.44 0.00 0.00 34.13 31.18 1wis s GLU 65 CO 0.26 -0.92 -0.11 -1.58 0.95 0.00 0.00 175.26 173.86 1wis s TRP 66 N -3.00 2.97 0.23 4.83 0.52 -1.26 -4.81 118.94 118.41 1wis s TRP 66 Ca 0.57 -1.53 0.07 0.00 0.02 0.00 0.00 56.10 55.23 1wis s TRP 66 Cb -0.11 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1wis s TRP 66 CO 0.42 -0.73 0.14 -0.51 0.02 0.00 0.00 176.95 176.29 1wis s LEU 67 N 1.32 3.69 0.33 2.99 1.43 -1.24 -4.90 118.68 122.29 1wis s LEU 67 Ca 0.02 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.56 1wis s LEU 67 Cb -0.15 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 1wis s LEU 67 CO -0.07 0.00 1.09 -0.22 0.23 0.00 0.00 176.35 177.38 1wis s LEU 68 N -3.57 4.40 0.00 1.79 2.96 -1.26 -2.25 118.68 120.75 1wis s LEU 68 Ca 0.32 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 1wis s LEU 68 Cb -0.08 -3.83 0.00 0.00 0.50 0.00 0.00 46.19 42.78 1wis s LEU 68 CO 0.23 -0.29 0.00 2.30 -1.32 0.00 0.00 176.35 177.28 1wis n ILE 69 N 0.72 0.00 -3.90 6.68 -5.35 0.35 -4.91 119.36 112.94 1wis n ILE 69 Ca 0.01 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 1wis n ILE 69 Cb 0.46 -0.57 -0.13 0.00 -1.74 0.00 0.00 39.64 37.66 1wis n ILE 69 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1wis s HIS 70 N -1.83 0.07 -0.07 4.28 5.04 -0.71 -4.97 115.29 117.11 1wis s HIS 70 Ca 0.00 -0.11 -0.05 0.00 -1.54 0.00 0.00 55.06 53.36 1wis s HIS 70 Cb 0.00 -0.05 0.03 0.00 0.04 0.00 0.00 32.58 32.60 1wis s HIS 70 CO 0.00 -0.04 0.18 1.14 -2.34 0.00 0.00 174.74 173.68 1wis s GLN 71 N -0.31 0.16 -0.26 2.88 -2.07 -1.26 0.55 119.66 119.35 1wis s GLN 71 Ca -0.03 0.36 -0.07 0.00 -1.82 0.00 0.00 55.36 53.79 1wis s GLN 71 Cb -0.02 -0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 31.83 1wis s GLN 71 CO -0.00 -0.11 0.07 -1.17 -1.32 0.00 0.00 175.29 172.76 1wis s LEU 72 N 0.77 3.56 0.07 2.60 2.96 -0.02 -4.90 118.68 123.73 1wis s LEU 72 Ca -0.06 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1wis s LEU 72 Cb -0.07 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1wis s LEU 72 CO -0.04 -0.09 0.13 -0.44 -1.32 0.00 0.00 176.35 174.59 1wis s SER 73 N 1.58 5.82 -0.41 3.68 0.01 -1.26 0.10 113.70 123.23 1wis s SER 73 Ca 0.05 0.09 -0.28 0.00 1.31 0.00 0.00 55.95 57.12 1wis s SER 73 Cb -0.16 -1.65 0.04 0.00 0.21 0.00 0.00 66.02 64.46 1wis s SER 73 CO 0.03 0.17 0.57 0.59 0.41 0.00 0.00 173.24 175.02 1wis n ASN 74 N 0.40 -6.42 0.00 2.44 3.02 -1.01 -4.97 115.26 108.73 1wis n ASN 74 Ca -0.07 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1wis n ASN 74 Cb 0.51 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.76 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wis n GLU 75 N -0.07 0.00 0.18 3.52 1.02 -1.26 -5.02 120.64 119.01 1wis n GLU 75 Ca -0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.26 1wis n GLU 75 Cb 0.58 0.00 0.44 0.00 -0.02 0.00 0.00 31.44 32.44 1wis n GLU 75 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wis h PRO 76 N 0.00 0.00 0.00 3.49 0.13 -1.94 -2.69 132.00 131.00 1wis h PRO 76 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1wis h PRO 76 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1wis h PRO 76 CO 0.00 0.00 -0.64 0.38 -0.23 0.00 0.00 178.00 177.51 1wis h ASP 77 N 0.00 0.00 -1.78 1.44 2.03 -1.95 -3.45 116.42 112.72 1wis h ASP 77 Ca 0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 1wis h ASP 77 Cb 0.65 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1wis h ASP 77 CO 0.00 0.23 1.50 0.00 -1.03 0.00 0.00 179.24 179.94 1wis n ALA 78 N -2.20 1.56 0.08 4.15 0.00 -1.02 -4.78 120.51 118.29 1wis n ALA 78 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 53.44 53.19 1wis n ALA 78 Cb 0.64 -2.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 1wis n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wis h ARG 79 N 15.17 0.00 -4.13 0.00 -0.00 -1.88 -3.48 114.38 120.06 1wis h ARG 79 Ca -0.37 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 58.98 1wis h ARG 79 Cb 1.26 0.00 -0.14 0.00 0.00 0.00 0.00 29.97 31.09 1wis h ARG 79 CO 0.99 0.20 -0.52 -1.54 0.00 0.00 0.00 179.97 179.11 1wis s SER 80 N -5.73 0.24 0.05 7.04 1.04 -1.26 -2.98 113.70 112.10 1wis s SER 80 Ca -0.01 -0.97 -0.27 0.00 0.48 0.00 0.00 55.95 55.19 1wis s SER 80 Cb 0.09 0.32 0.08 0.00 0.10 0.00 0.00 66.02 66.61 1wis s SER 80 CO 0.79 -0.74 0.73 0.00 0.98 0.00 0.00 173.24 175.00 1wis s MET 81 N -3.96 1.05 0.05 4.02 0.23 -1.17 -5.03 119.30 114.49 1wis s MET 81 Ca 0.15 -0.26 -0.19 0.00 -1.03 0.00 0.00 55.69 54.36 1wis s MET 81 Cb 0.06 0.49 -0.06 0.00 -1.53 0.00 0.00 34.83 33.79 1wis s MET 81 CO -0.04 -0.43 0.56 -2.00 -2.03 0.00 0.00 175.02 171.07 1wis s GLU 82 N -2.96 4.20 -0.52 3.16 2.12 -1.26 -2.27 118.70 121.17 1wis s GLU 82 Ca 0.00 0.70 -0.00 0.00 0.36 0.00 0.00 54.97 56.03 1wis s GLU 82 Cb -0.01 -3.26 0.13 0.00 0.26 0.00 0.00 34.13 31.25 1wis s GLU 82 CO -0.07 0.58 0.30 0.08 -0.54 0.00 0.00 175.26 175.60 1wis s VAL 83 N -0.88 3.16 0.00 3.70 1.01 -0.23 -4.95 120.40 122.22 1wis s VAL 83 Ca 0.29 -2.78 0.00 0.00 0.00 0.00 0.00 61.98 59.49 1wis s VAL 83 Cb -0.19 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1wis s VAL 83 CO 0.18 -0.78 0.00 -0.81 0.00 0.00 0.00 175.10 173.69 1wis n PRO 84 N 3.73 0.25 -3.65 2.72 -0.04 -1.26 -3.17 135.00 133.57 1wis n PRO 84 Ca 0.04 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 1wis n PRO 84 Cb 0.38 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.85 1wis n PRO 84 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 85 N -1.50 -5.48 -4.27 3.54 9.92 -0.96 -4.84 116.55 112.95 1wis n ASP 85 Ca 0.00 -0.85 -0.26 0.00 -0.53 0.00 0.00 54.79 53.15 1wis n ASP 85 Cb 0.00 -2.87 -0.14 0.00 -0.64 0.00 0.00 41.12 37.47 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wis s LEU 86 N -5.54 2.21 -0.31 0.64 1.43 -0.53 -5.02 118.68 111.56 1wis s LEU 86 Ca 0.20 -0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 52.48 1wis s LEU 86 Cb -0.08 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1wis s LEU 86 CO 0.87 0.14 0.81 0.20 0.23 0.00 0.00 176.35 178.60 1wis s ASN 87 N -1.41 6.67 0.52 2.29 -0.87 -1.26 -4.34 114.94 116.54 1wis s ASN 87 Ca 0.08 0.65 -0.19 0.00 -1.57 0.00 0.00 52.86 51.84 1wis s ASN 87 Cb -0.09 -2.42 -0.07 0.00 -0.02 0.00 0.00 41.25 38.65 1wis s ASN 87 CO 0.03 -0.65 1.04 -2.16 -2.57 0.00 0.00 177.10 172.79 1wis s PRO 88 N 3.03 3.67 -1.45 -0.60 0.04 -1.20 -3.64 135.00 134.86 1wis s PRO 88 Ca 0.33 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 1wis s PRO 88 Cb -0.14 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1wis s PRO 88 CO 0.13 -0.54 0.97 0.34 0.04 0.00 0.00 177.00 177.95 1wis n PHE 89 N -1.30 -2.34 -3.77 0.56 7.35 -0.35 -4.87 117.46 112.73 1wis n PHE 89 Ca 0.09 0.92 -0.13 0.00 -0.76 0.00 0.00 57.45 57.57 1wis n PHE 89 Cb 0.53 -4.30 -0.11 0.00 0.35 0.00 0.00 39.48 35.94 1wis n PHE 89 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wis s THR 90 N -3.38 -0.00 -0.19 -2.13 2.01 -1.24 -4.98 115.64 105.74 1wis s THR 90 Ca 0.50 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 1wis s THR 90 Cb -0.24 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 1wis s THR 90 CO 0.80 0.00 1.31 0.00 -0.69 0.00 0.00 174.62 176.05 1wis s TYR 92 N 3.76 0.67 0.28 0.00 1.51 -1.25 -1.45 117.35 120.88 1wis s TYR 92 Ca 0.57 -0.58 0.12 0.00 -1.01 0.00 0.00 57.07 56.16 1wis s TYR 92 Cb -0.22 -0.40 -0.05 0.00 -0.11 0.00 0.00 41.96 41.18 1wis s TYR 92 CO 0.18 -0.11 -0.18 0.45 -1.11 0.00 0.00 175.55 174.78 1wis s SER 93 N -1.83 3.66 0.05 2.29 0.15 -1.21 -4.14 113.70 112.66 1wis s SER 93 Ca -0.07 -1.02 -0.06 0.00 0.70 0.00 0.00 55.95 55.51 1wis s SER 93 Cb -0.07 -0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.89 1wis s SER 93 CO -0.01 0.02 0.10 -0.36 1.20 0.00 0.00 173.24 174.19 1wis s PHE 94 N -2.51 0.22 0.00 3.44 0.08 -1.26 -2.54 117.98 115.42 1wis s PHE 94 Ca 0.30 -0.56 0.00 0.00 0.12 0.00 0.00 56.93 56.79 1wis s PHE 94 Cb -0.05 -0.15 0.00 0.00 -0.57 0.00 0.00 43.02 42.25 1wis s PHE 94 CO 0.15 -0.40 0.00 2.89 -0.10 0.00 0.00 175.22 177.77 1wis n ARG 95 N 0.58 0.01 -4.23 0.44 1.85 -0.82 -2.97 116.66 111.53 1wis n ARG 95 Ca -0.18 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.54 1wis n ARG 95 Cb 0.59 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.90 1wis n ARG 95 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1wis s MET 96 N -1.92 1.08 -0.22 2.89 -1.94 -1.26 -4.00 119.30 113.93 1wis s MET 96 Ca 0.00 -1.52 -0.27 0.00 -1.71 0.00 0.00 55.69 52.19 1wis s MET 96 Cb 0.00 -0.21 0.12 0.00 2.01 0.00 0.00 34.83 36.75 1wis s MET 96 CO 0.00 -0.14 0.99 1.03 -0.01 0.00 0.00 175.02 176.89 1wis s ARG 97 N -3.93 0.58 0.08 2.03 0.52 -0.79 -3.21 118.95 114.23 1wis s ARG 97 Ca 0.24 0.41 0.07 0.00 -0.52 0.00 0.00 55.73 55.92 1wis s ARG 97 Cb 0.06 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 1wis s ARG 97 CO 0.03 -0.13 -0.12 -0.65 0.02 0.00 0.00 175.30 174.45 1wis s GLN 98 N -0.38 2.12 -0.05 3.54 -0.21 -1.26 -1.38 119.66 122.03 1wis s GLN 98 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.38 1wis s GLN 98 Cb -0.03 -2.28 0.02 0.00 1.00 0.00 0.00 33.01 31.73 1wis s GLN 98 CO -0.02 0.52 -0.02 0.08 -2.12 0.00 0.00 175.29 173.73 1wis s VAL 99 N -1.12 0.41 0.33 1.09 1.01 -1.04 -1.70 120.40 119.38 1wis s VAL 99 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1wis s VAL 99 Cb -0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1wis s VAL 99 CO 0.11 0.22 0.20 -0.46 0.00 0.00 0.00 175.10 175.16 1wis n ASN 100 N 4.42 0.21 0.06 3.32 6.94 -0.77 0.19 115.26 129.63 1wis n ASN 100 Ca -0.19 -2.96 0.06 0.00 -0.02 0.00 0.00 54.58 51.46 1wis n ASN 100 Cb 0.50 1.24 0.27 0.00 -2.36 0.00 0.00 39.78 39.43 1wis n ASN 100 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wis n ILE 101 N -0.69 1.44 0.00 1.53 0.13 -1.26 -2.98 119.36 117.53 1wis n ILE 101 Ca 0.01 0.50 0.00 0.00 -1.10 0.00 0.00 62.75 62.17 1wis n ILE 101 Cb 0.55 -1.46 0.00 0.00 -0.84 0.00 0.00 39.64 37.89 1wis n ILE 101 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 1wis n VAL 102 N -1.80 0.00 -0.62 9.51 0.31 -1.26 -5.05 118.33 119.42 1wis n VAL 102 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1wis n VAL 102 Cb 0.06 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1wis n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 103 N 2.13 3.03 2.82 2.92 0.00 -1.16 -5.04 105.19 109.90 1wis n GLY 103 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1wis n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wis s THR 104 N -0.42 0.98 0.96 2.61 2.01 -1.26 -1.84 115.64 118.67 1wis s THR 104 Ca 0.00 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 1wis s THR 104 Cb 0.00 -1.40 0.05 0.00 0.01 0.00 0.00 72.50 71.17 1wis s THR 104 CO 0.00 -0.19 0.44 -1.54 -0.69 0.00 0.00 174.62 172.64 1wis n SER 105 N 4.87 -1.91 -4.40 3.53 3.41 -0.69 -4.98 113.62 113.46 1wis n SER 105 Ca -0.10 0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 58.51 1wis n SER 105 Cb 0.45 -1.21 0.17 0.00 -0.26 0.00 0.00 64.21 63.37 1wis n SER 105 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1wis s PRO 106 N -3.71 0.46 0.29 4.33 0.04 -1.26 -4.59 135.00 130.56 1wis s PRO 106 Ca 0.58 0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.37 1wis s PRO 106 Cb -0.21 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1wis s PRO 106 CO 0.67 -2.61 1.08 -1.25 0.04 0.00 0.00 177.00 174.92 1wis s PRO 107 N -5.46 4.59 0.45 0.56 0.04 -1.26 -4.73 135.00 129.19 1wis s PRO 107 Ca 0.68 1.73 0.02 0.00 0.04 0.00 0.00 61.00 63.46 1wis s PRO 107 Cb -0.11 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1wis s PRO 107 CO 0.54 0.19 0.66 0.45 0.04 0.00 0.00 177.00 178.88 1wis s SER 108 N -1.02 5.73 0.27 6.66 0.15 -1.20 -5.01 113.70 119.28 1wis s SER 108 Ca 0.46 0.13 -0.30 0.00 0.70 0.00 0.00 55.95 56.94 1wis s SER 108 Cb -0.30 -1.32 -0.13 0.00 -1.71 0.00 0.00 66.02 62.56 1wis s SER 108 CO 0.38 -0.75 1.31 0.00 1.20 0.00 0.00 173.24 175.38 1wis n GLN 109 N -2.06 1.93 -2.21 5.44 1.13 -1.26 -4.58 117.38 115.77 1wis n GLN 109 Ca 0.03 0.68 -0.33 0.00 -1.94 0.00 0.00 57.00 55.44 1wis n GLN 109 Cb 0.58 -2.27 -0.01 0.00 0.11 0.00 0.00 30.24 28.65 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1wis s PRO 110 N -0.96 3.51 0.70 -1.09 0.04 -1.26 -4.80 135.00 131.13 1wis s PRO 110 Ca 0.64 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 1wis s PRO 110 Cb -0.64 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 31.85 1wis s PRO 110 CO 0.55 -0.66 1.09 -1.54 0.04 0.00 0.00 177.00 176.48 1wis s SER 111 N -2.61 5.49 0.66 6.66 1.04 -1.16 -5.00 113.70 118.78 1wis s SER 111 Ca 0.64 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 58.03 1wis s SER 111 Cb -0.15 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1wis s SER 111 CO 0.32 -1.31 0.77 0.54 0.98 0.00 0.00 173.24 174.55 1wis n ARG 112 N -2.98 0.57 -2.01 4.02 5.12 -1.26 -4.75 116.66 115.37 1wis n ARG 112 Ca 0.07 0.24 -0.42 0.00 -1.93 0.00 0.00 57.85 55.80 1wis n ARG 112 Cb 0.57 -2.01 -0.03 0.00 -1.16 0.00 0.00 32.46 29.83 1wis n ARG 112 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1wis s LYS 113 N -2.78 4.17 0.39 5.56 2.20 -1.26 -4.96 119.74 123.05 1wis s LYS 113 Ca 0.72 2.17 0.08 0.00 -0.36 0.00 0.00 55.97 58.58 1wis s LYS 113 Cb -0.39 -3.99 -0.05 0.00 -1.51 0.00 0.00 37.83 31.90 1wis s LYS 113 CO 0.52 -0.86 0.17 0.96 -0.36 0.00 0.00 175.35 175.77 1wis s ILE 114 N 4.07 2.57 -0.25 5.43 -5.25 -1.26 -5.06 121.20 121.45 1wis s ILE 114 Ca 0.73 -1.70 0.01 0.00 -0.99 0.00 0.00 60.65 58.70 1wis s ILE 114 Cb -0.33 -2.97 0.07 0.00 2.95 0.00 0.00 42.46 42.18 1wis s ILE 114 CO 0.29 -0.07 -0.02 -1.58 -1.79 0.00 0.00 174.94 171.77 1wis s GLN 115 N -3.89 1.44 0.87 0.37 0.74 -1.26 -3.89 119.66 114.04 1wis s GLN 115 Ca 0.40 -1.04 -0.12 0.00 0.05 0.00 0.00 55.36 54.65 1wis s GLN 115 Cb 0.01 -2.55 0.09 0.00 1.10 0.00 0.00 33.01 31.66 1wis s GLN 115 CO 0.23 -0.67 0.98 0.25 -0.55 0.00 0.00 175.29 175.53 1wis n THR 116 N 4.68 0.95 -0.93 -0.34 -2.24 -1.25 -4.88 114.28 110.27 1wis n THR 116 Ca -0.09 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 1wis n THR 116 Cb 0.44 -0.99 0.24 0.00 -2.10 0.00 0.00 70.33 67.92 1wis n THR 116 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wis s LEU 117 N -4.68 0.55 0.15 3.22 1.43 -0.85 -2.53 118.68 115.96 1wis s LEU 117 Ca 0.68 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 54.51 1wis s LEU 117 Cb -0.26 -2.61 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 1wis s LEU 117 CO 0.57 -4.18 0.48 -1.10 0.23 0.00 0.00 176.35 172.35 1wis s GLN 118 N -5.19 3.80 0.00 1.70 -0.21 -1.26 -1.22 119.66 117.28 1wis s GLN 118 Ca 0.69 0.24 -0.18 0.00 0.02 0.00 0.00 55.36 56.13 1wis s GLN 118 Cb -0.13 -2.85 -0.06 0.00 1.00 0.00 0.00 33.01 30.98 1wis s GLN 118 CO 0.57 0.45 0.52 0.45 -2.12 0.00 0.00 175.29 175.16 1wis s SER 119 N -2.05 6.91 0.00 5.90 0.15 -1.26 -4.85 113.70 118.49 1wis s SER 119 Ca 0.40 1.08 0.00 0.00 0.70 0.00 0.00 55.95 58.13 1wis s SER 119 Cb -0.13 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1wis s SER 119 CO 0.20 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.45 1wis n GLY 120 N 2.21 1.29 3.76 9.45 0.00 -1.26 -5.14 105.19 115.50 1wis n GLY 120 Ca -0.10 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1wis n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wis s PRO 121 N -0.94 4.66 0.49 1.61 0.04 -1.26 -4.82 135.00 134.78 1wis s PRO 121 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1wis s PRO 121 Cb 0.00 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1wis s PRO 121 CO 0.00 0.24 0.00 0.45 0.04 0.00 0.00 177.00 177.73 1wis n SER 122 N 1.20 -6.23 -4.46 6.66 2.88 -1.26 -4.68 113.62 107.73 1wis n SER 122 Ca -0.01 1.14 -0.44 0.00 -1.33 0.00 0.00 58.87 58.24 1wis n SER 122 Cb 0.45 -3.92 -0.05 0.00 -0.75 0.00 0.00 64.21 59.94 1wis n SER 122 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wis s SER 123 N -6.59 6.24 0.00 -3.46 0.15 -1.26 -5.12 113.70 103.66 1wis s SER 123 Ca 0.00 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1wis s SER 123 Cb 0.00 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1wis s SER 123 CO 0.00 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 173.99